2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-allyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-prop-2-enyl-5-(8-quinolinyloxymethyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-allyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C17H15N5OS MolecularWeight: 337.3989

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC#N)COC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC#N)COC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C17H15N5OS/c1-2-10-22-15(20-21-17(22)24-11-8-18)12-23-14-7-3-5-13-6-4-9-19-16(13)14/h2-7,9H,1,10-12H2